| SpectraBase Compound ID | 5F7I6PlWYn4 |
|---|---|
| InChI | InChI=1S/C31H50O2/c1-8-23(20(2)3)10-9-21(4)27-13-14-28-26-12-11-24-19-25(33-22(5)32)15-17-30(24,6)29(26)16-18-31(27,28)7/h11,21,23,25-29H,2,8-10,12-19H2,1,3-7H3/t21-,23?,25+,26+,27-,28+,29+,30+,31-/m1/s1 |
| InChIKey | XSBVQWHCFJNQMD-PGNJBXBZSA-N |
| Mol Weight | 454.7 g/mol |
| Molecular Formula | C31H50O2 |
| Exact Mass | 454.381081 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 7GI1cgtlSDU |
|---|---|
| Name | Clerosterol - acetate |
| Alternate Name(s) | (3beta)-stigmasta-5,25-dien-3-yl acetate 24-Ethylcholesta-5,25-dien-3.beta.-ol-acetate |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C31H50O2 |
| InChI | InChI=1S/C31H50O2/c1-8-23(20(2)3)10-9-21(4)27-13-14-28-26-12-11-24-19-25(33-22(5)32)15-17-30(24,6)29(26)16-18-31(27,28)7/h11,21,23,25-29H,2,8-10,12-19H2,1,3-7H3/t21-,23?,25+,26+,27-,28+,29+,30+,31-/m1/s1 |
| InChIKey | XSBVQWHCFJNQMD-PGNJBXBZSA-N |
| Molecular Weight | 454.739 g/mol |
| SMILES | [C@@]12([C@]([C@@]3(CC=C4[C@@]([C@]3(CC2)[H])(CC[C@](OC(=O)C)(C4)[H])C)[H])(CC[C@@]1([C@@](CCC(C(=C)C)CC)(C)[H])[H])[H])C |
| SPLASH | splash10-0006-0169000000-adb0f58e5a19c23e6793 |
| Source of Spectrum | Y4-81-79-0 |
| Wiley ID | 1513310 |